8-iodanyl-4-methyl-7-(2-oxidanylidenepropoxy)-3-(phenylmethyl)chromen-2-one

Systemtic Name: 8-iodanyl-4-methyl-7-(2-oxidanylidenepropoxy)-3-(phenylmethyl)chromen-2-one Openeye Name: 7-acetonyloxy-3-benzyl-8-iodo-4-methyl-chromen-2-one CAS Name: 8-iodo-4-methyl-7-(2-oxopropoxy)-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-8-iodo-4-methyl-7-(2-oxopropoxy)chromen-2-one Traditional Name: 7-acetonyloxy-3-benzyl-8-iodo-4-methyl-coumarin Formula: C20H17IO4 MolecularWeight: 448.25105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2I)OCC(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2I)OCC(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H17IO4/c1-12(22)11-24-17-9-8-15-13(2)16(10-14-6-4-3-5-7-14)20(23)25-19(15)18(17)21/h3-9H,10-11H2,1-2H3